chempirical

6-(Trifluoromethyl)nicotinoyl chloride

C7H3ClF3NOCAS 358780-13-9209.55 g/mol

Open in Covalent MOL file
NOClFFF
Acyl halideAlkyl halide

Properties

Molecular formula
C7H3ClF3NO
Molar mass
209.55 g/mol
Exact mass
208.9855 Da
logP
2.48Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
358780-13-9
SMILES
C1=CC(=NC=C1C(=O)Cl)C(F)(F)F
InChIKey
DDIXMUVENCORLG-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF3NO/c8-6(13)4-1-2-5(12-3-4)7(9,10)11/h1-3H

Weigh it out

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Work with 6-(Trifluoromethyl)nicotinoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-063 % similar 6-Trifluoromethylnicotinic acid231291-22-861 % similar Methyl 6-(trifluoromethyl)nicotinate221313-10-656 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-756 % similar 6-Chloronicotinoyl chloride58757-38-354 % similar 6-(Trifluoromethyl)-3-pyridinecarboxamide386715-35-153 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-052 % similar 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride221313-11-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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